Category: 271-95-4

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《1, 2-Benzisoxazole: A Privileged Structure with a Potential for Polypharmacology》. Authors are Uto, Yoshikazu.The article about the compound:1,2-Benzisoxazolecas:271-95-4,SMILESS:C12=CC=CC=C1ON=C2).Recommanded Product: 1,2-Benzisoxazole. Through the article, more information about this compound (cas:271-95-4) is conveyed.

A review. Background: Privileged structures are potentially able to bind to a diverse range of biol. important proteins with high affinities, thus benefiting the discovery of novel bioactive compounds 1,2-Benxisoxazole derivatives can be such important types of “”privileged structures”” possessing a rich diversity of biol. properties especially in the area of CNS disorders. Methods: This review seeks to explore the most significant examples of 1,2-benzisoxazoles as privileged structures in terms of polypharmacol. at the mol. level, specifically focusing on four 1,2-benzisoxazoles (zonisamide, risperidone, paliperidone, and iloperidone) which have been in clin. use and established as effective therapeutics. Furthermore, an updated and detailed account of the pharmacol. properties of 1,2-benzisoxazole derivatives as therapeutics for CNS disorders is described. And finally, outlooks on current issues and future directions in this field are also provided. Results: 1,2-Benzisoxazole was successfully employed in the discovery and development of zonisamide for the treatment of epilepsy and Parkinson’s disease. 1,2- Benzisoxazole is also a significantly important structure for the development of atypical antipsychotics. Conclusion: It is very reasonable to say that 1,2-benzisoxazole is a good example of a privileged structure because it forms the centerpiece of small mol. chem. entities with a wide range of pharmacol. properties, especially in the area of CNS disorders.

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Reference:
Highly efficient and robust molecular ruthenium catalysts for water oxidation,
Catalysts | Special Issue : Ruthenium Catalysts – MDPI

Related Products of 271-95-4. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 1,2-Benzisoxazole, is researched, Molecular C7H5NO, CAS is 271-95-4, about Differentiation between isomeric structures of benzazoles by nitrogen-14, carbon-13, and proton NMR. Author is Stefaniak, Lech.

Isomeric benzazole ring systems were distinguished effectively by N chem. shifts, there being a large difference in N shielding, generally >20 ppm, between isomeric benzenoid- and quinonoid-like structures (for indoles and isoindoles, resp.). 13C and 1H NMR gave unambiguous structure assignment for sym. quinonoid ring systems of azoles.

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Highly efficient and robust molecular ruthenium catalysts for water oxidation,
Catalysts | Special Issue : Ruthenium Catalysts – MDPI

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 1,2-Benzisoxazole, is researched, Molecular C7H5NO, CAS is 271-95-4, about Protoenzymes: the case of hyperbranched polyesters, the main research direction is tertiary amine polyester hydrophobic pocket Kemp elimination reaction; functional polymers; hyperbranched polymers; messy chemistry; origin of life; protoenzyme; synzyme.SDS of cas: 271-95-4.

Enzymes are biopolymeric complexes that catalyze biochem. reactions and shape metabolic pathways. Enzymes usually work with small mol. cofactors that actively participate in reaction mechanisms and complex, usually globular, polymeric structures capable of specific substrate binding, encapsulation and orientation. Moreover, the globular structures of enzymes possess cavities with modulated microenvironments, facilitating the progression of reaction(s). The globular structure is ensured by long folded protein or RNA strands. Synthesis of such elaborate complexes has proven difficult under prebiotically plausible conditions. We explore here that catalysis may have been performed by alternative polymeric structures, namely hyperbranched polymers. Hyperbranched polymers are relatively complex structures that can be synthesized under prebiotically plausible conditions; their globular structure is ensured by virtue of their architecture rather than folding. In this study, we probe the ability of tertiary amine-bearing hyperbranched polyesters to form hydrophobic pockets as a reaction-promoting medium for the Kemp elimination reaction. Our results show that polyesters formed upon reaction between glycerol, triethanolamine and organic acid containing hydrophobic groups, i.e. adipic and methylsuccinic acid, are capable of increasing the rate of Kemp elimination by a factor of up to 3 over monomeric triethanolamine.

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Reference:
Highly efficient and robust molecular ruthenium catalysts for water oxidation,
Catalysts | Special Issue : Ruthenium Catalysts – MDPI

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 1,2-Benzisoxazole(SMILESS: C12=CC=CC=C1ON=C2,cas:271-95-4) is researched.HPLC of Formula: 271-95-4. The article 《Off-the-shelf proteins that rival tailor-made antibodies as catalysts》 in relation to this compound, is published in Nature (London). Let’s take a look at the latest research on this compound (cas:271-95-4).

Mimicking the efficiency of enzyme catalysis is a daunting challenge. An enzyme selectively binds and stabilizes the transition state(s) for a particular reaction. Artificial host systems can bind ground states just as efficiently, and rate enhancements comparable to those in enzymic reactions can be achieved by bringing catalytic and substrate groups together in intramol. reactions. But the combination of selective binding and efficient catalysis remains elusive. The best enzyme mimics currently known are catalytic antibodies. They bind transition-state analogs with high affinity, but their catalytic efficiency generally falls far short of that of enzymes. Thorn et al. recently described an antibody that catalyzes the eliminative ring-opening of a benzisoxazole “”exceptionally efficiently”” using carboxylate as the general base, raising the intriguing possibility that this high efficiency derives from precise positioning of catalytic and substrate groups. Familiar ‘off-the-shelf’ proteins-serum albumins-catalyze the same reaction at similar rates, using a lysine side-chain amino group as the catalytic general base. Comparisons suggest that formal general base catalysis is of only modest efficiency in both systems, and that the antibody catalysis is boosted by a non-specific medium effect.

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Reference:
Highly efficient and robust molecular ruthenium catalysts for water oxidation,
Catalysts | Special Issue : Ruthenium Catalysts – MDPI

Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 271-95-4, is researched, SMILESS is C12=CC=CC=C1ON=C2, Molecular C7H5NOJournal, Article, Journal of Organic Chemistry called Theoretical Investigations of the Photochemical Isomerizations of Indoxazene and Isoxazole, Author is Su, Ming-Der, the main research direction is ab initio photochem isomerizations indoxazene isoxazolecarboxylate.HPLC of Formula: 271-95-4.

The mechanisms of the photochem. isomerization reactions were investigated using two model systems of indoxazene (1) and isoazole-3-carboxylate (5) with the CASSCF and MP2-CAS methods using the 6-311G(d,p) basis set. The active space of the former consists of 14 electrons in 11 orbitals, while that of the latter consists of 10 electrons in seven orbitals. Two reaction pathways were examined in the present work. They are referred to as the internal cyclization-isomerization path (paths I and III) and the direct path (paths II and IV). Our model investigations suggest that the preferred reaction route for these species is as follows: reactant → Franck-Condon region → conical intersection → photoproduct. In particular, the direct (conical intersection) mechanism found in this work gives a better explanation than the previous proposed mechanism and also supports the available exptl. observations. Addnl., a simple p-π orbital topol. model is proposed that can be used as a diagnostic tool to predict the location of the conical intersections as well as the geometries of the phototransposition products of various heterocycles.

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Reference:
Highly efficient and robust molecular ruthenium catalysts for water oxidation,
Catalysts | Special Issue : Ruthenium Catalysts – MDPI

Recommanded Product: 271-95-4. So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic. Compound: 1,2-Benzisoxazole, is researched, Molecular C7H5NO, CAS is 271-95-4, about Mechanism of the photoisomerization of isoxazoles and 2-cyanophenol to oxazoles.

The photolysis of indoxazene (I) to benzoxazole (III) has been shown to proceed by an isonitrile intermediate (II). Photolysis of I at -77° resulted in ir bands at 3350 and 2130 cm-1 characteristic of II which disappeared on warming and a new band at 1065 cm-1 formed characteristic of III. II was trapped as the formamide when the photolysis was performed in AcOH. The uv spectrum of II was measured by the photolysis of I to II at -77°. A similar uv spectrum was obtained by irradiation of 2-cyanophenol at -77°. The uv spectrum of III was observed on warming to room temperature suggesting the direct conversion of cyanophenol to II which then proceeds to benzoxazole. The conversion of I to III proceeds from a π,π* excited singlet and the conversion of I to cyanophenol proceeds via a n,π* triplet. Two intermediates were detected in the photolysis of IV. The first exhibited an ir band at 1695 cm-1 and is converted to the ketoisonitrile (V) on warming. V was characterized by ir bands at 2160 and 1725 cm-1 and is converted to the oxazole (VI) on further warming. VI was trapped as the formamide (VII) when the photolysis was performed in AcOH.

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Reference:
Highly efficient and robust molecular ruthenium catalysts for water oxidation,
Catalysts | Special Issue : Ruthenium Catalysts – MDPI

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Reaction between ο-hydroxyaldehydes and hydrazoic acid》. Authors are Palazzo, S.; Tornetta, B..The article about the compound:1,2-Benzisoxazolecas:271-95-4,SMILESS:C12=CC=CC=C1ON=C2).Product Details of 271-95-4. Through the article, more information about this compound (cas:271-95-4) is conveyed.

The reactions between salicylaldehyde (I) or 3-nitro-2-hydroxybenzaldehyde, 4-nitro-2-hydroxybenzaldehyde, 3-chloro-2-hydroxybenzaldehyde, or 4-chloro-2-hydroxybenzaldehyde with HN3 are reported and described. As with other derivatives, benzoxazolic and isobenzoxazolic rings were formed; only I gave ο-aminophenol instead of the benzoxazolic derivative

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Reference:
Highly efficient and robust molecular ruthenium catalysts for water oxidation,
Catalysts | Special Issue : Ruthenium Catalysts – MDPI

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Ring openings with benz-α,β-isoöxazoles. II》. Authors are Lindemann, Hans; Cissee, Hans.The article about the compound:1,2-Benzisoxazolecas:271-95-4,SMILESS:C12=CC=CC=C1ON=C2).Name: 1,2-Benzisoxazole. Through the article, more information about this compound (cas:271-95-4) is conveyed.

cf. C. A. 23, 2973. Me 6-nitroindoxazene-3-carboxylate is reduced by SnCl2 and HCl to the 6-NH2 derivative, yellow, m. 206° (Ac derivative, m. 210°; di-Ac derivative, m. 130°), which by hydrolysis with H2SO4 gives 6-aminoindoxazene-3-carboxylic acid (I), decomposes 160° with the formation of 4,2-H2N(HO)C6H3CN, m. 182° (Ac derivative, decomposes 260-80°). The Et ester of I, m. 147° (Ac derivative, m. 186-7°), with N2H4.H2O gives the hydrazide, yellow, m. 218°, of 6-acetamidoindoxazene-3-carboxylic acid, transformed by HNO2 into the corresponding aside, m. 155° (decomposition); boiling the latter with the appropriate alc. gives the Pr, Bu and iso-Am esters of 6-acetamidoindoxazene-3-carbamic acid, m. 205, 248 and 215° (decomposition), resp. Boiling the azide with dilute AcOH gives 3-amino-6-acetamidoindoxazene, m. 222° (di-Ac derivative, m. 256°; this by warming with 2 N NaOH passes into 3-o-hydroxy-p-acetamidophenyl-5-methyl-1,2,4,-oxdiazole, m. 210°, also obtained by reducing with SnCl2 and HCl the analogous nitrooxdiazole), and either from the hydrolysis of this compound with dilute H2SO4, or by reduction of 6-nirto-3-aminoindoxazine with SnCl2 3,6-diamidoindoxazene, m. 141°, was obtained. 3-Amino-6-acetamidoindoxazene and HNO2 give the 3-HO derivative, m. 160-5° (decomposition); heating with HCO2H gives 2-hydroxy-4-acetamidobenzohydroxamic acid, m. 218°. The last 2 compounds, warmed with EtCO2H or (EtCO)2O, resp., give 2-hydroxy-4-acetamidobenzopropionylhydroxamic acid, m. 194°, which gives with 2 N NaOH 6-acetamido-2-benzoxazolone, m. 320°. Me 6-chloroindoxazene-3-carboxylate, m. 124°, from the NH2 derivative through the Sandmeyer reaction, with 2 N NaOH gives, on long standing, the free acid, decomposes 171°, with remelting above 300°. Either the acid or ester, boiled with 2 N NaOH, gives 4-chloro-2-hydroxybenzonitrile, m. 155° and forming at 180-200° a cyaphenin derivative The above ester with N2H4 in EtOH gives the hydrazide of 6-chloroindoxazene-3-carboxylic acid, decomposes 192°; HNO2 transforms this into the corresponding aside, m. 142° (decomposition), which in turn is converted by warning with AcOH into bis-[6-chloro-3-indoxazenyl]urea, m. 260°, while boiling Ac2O gives 6-chloro-3-acetamidoindoxazene, m. 186° (the free amine m. 135°), transformed by warming with 2 N NaOH into 3-o-hydroxy-p-chlorophenyl-5-methyl-1,2,4-oxdiazole, m. 79°. Me indoxazene-3-carboxylate, m. 69°; free acid, m. 140-1°; hydrazide, m. 143°; azide, m. 95°; sym-bis-3-indoxazenylurea, m. 244°; 3-aminoindoxazene, m. 110° (Ac derivative, m. 155-6°).

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Reference:
Highly efficient and robust molecular ruthenium catalysts for water oxidation,
Catalysts | Special Issue : Ruthenium Catalysts – MDPI

Electric Literature of C7H5NO. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 1,2-Benzisoxazole, is researched, Molecular C7H5NO, CAS is 271-95-4, about Gallium(III) triflate-catalyzed dehydration of aldoximes. Author is Yan, Ping; Batamack, Patrice; Prakash, G. K. Surya; Olah, George A..

Gallium triflate catalyzed dehydration of aldoximes to nitriles is described in good to excellent yields. Good catalytic and dehydrating capabilities of gallium triflate are demonstrated through this dehydration reaction.

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Reference:
Highly efficient and robust molecular ruthenium catalysts for water oxidation,
Catalysts | Special Issue : Ruthenium Catalysts – MDPI

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Conjugation in unsaturated systems containing hetero atoms, II. Refined treatment of isoxazole, the phenylisoxazoles, and the benzisoxazoles》. Authors are Berthier, Gaston; Del Re, Giuseppe.The article about the compound:1,2-Benzisoxazolecas:271-95-4,SMILESS:C12=CC=CC=C1ON=C2).Name: 1,2-Benzisoxazole. Through the article, more information about this compound (cas:271-95-4) is conveyed.

cf. CA 57, 12456e. A refined semi-empirical study of the π-systems of isoxazole, phenylisoxazole, and benzisoxazole has been carried out. The purpose of this study was (a) to see how the results previously obtained by the Hueckel method were affected by the inclusion of antisymmetrization and long-range effects, and (b) to ascertain to what extent the criteria and definitions used in Part I for interpreting the results could be considered to be valid in more complicated treatments. As concerns (a), the new results are encouraging for they just show a slight improvement of the good agreement with experimental data already found with the Hueckel method. The refined treatment sheds more light on the importance of mutual polarization in the conjugation of different units. As concerns (b), the use of the refined method has led to a revision of the concept and definition of interaction energy, introduced in Part I to measure the interaction of two π-systems. One can define an “”extra-delocalization energy”” and a “”π-dissociation energy””; the values of the latter quantity are in agreement with the expected order of stability of the combined isoxazole-benzene systems; those of the former appear to be more strictly related to polarization effects. Together with the other results, this suggests that definitions and criteria, valid beyond the limits of the numerical results can be obtained, but a test of them by a refined scheme is essential to ensure that special simplifying features of the original method do not lead to ambiguities. It is concluded that a semiempirical treatment of the Hueckel type can be both a sufficient tool for the chemist and, under the above conditions, a scheme within which quite sound and lasting analyses of fact can be performed.

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Reference:
Highly efficient and robust molecular ruthenium catalysts for water oxidation,
Catalysts | Special Issue : Ruthenium Catalysts – MDPI